Molecule ID: mol559

SMILES: Cc1ccccc1S(=O)(=O)NC(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1

InChI: InChI=1S/C24H29Cl2N3O4S/c1-17-4-2-3-5-23(17)34(31,32)27-24(30)29-12-8-18(9-13-29)28-14-10-19(11-15-28)33-20-6-7-21(25)22(26)16-20/h2-7,16,18-19H,8-15H2,1H3,(H,27,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.40 Hunt 2 » 1
3.40 Hunt 2 » 1
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Charge States and Microspecies Visualization